N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

C19H22N2O — CID 19696146

IUPACN-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CC(NCc1ccccc1)CC2
InChIInChI=1S/C19H22N2O/c1-14(22)21-19-9-5-8-16-10-11-17(12-18(16)19)20-13-15-6-3-2-4-7-15/h2-9,17,20H,10-13H2,1H3,(H,21,22)
InChIKeyUQBBJRKRXOUOFB-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.29
Rot. Bonds4

About N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 19696146) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
PubChem CID19696146
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CC(NCc1ccccc1)CC2
InChIInChI=1S/C19H22N2O/c1-14(22)21-19-9-5-8-16-10-11-17(12-18(16)19)20-13-15-6-3-2-4-7-15/h2-9,17,20H,10-13H2,1H3,(H,21,22)
InChIKeyUQBBJRKRXOUOFB-UHFFFAOYSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(2-phenylethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773336
N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 54535301
(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 22866782
N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773285
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265
3-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]benzoic acid
CID 103248031
N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773305
7-(benzylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 59987037
N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 59666288
N-(7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696246
N-(5-acetamido-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 19773270
3-(benzylamino)cyclopentan-1-one
CID 59118330

Frequently Asked Questions

What is the IUPAC name of N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (CID 19696146) is N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c1CC(NCc1ccccc1)CC2.
What is the InChIKey of N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is UQBBJRKRXOUOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14(22)21-19-9-5-8-16-10-11-17(12-18(16)19)20-13-15-6-3-2-4-7-15/h2-9,17,20H,10-13H2,1H3,(H,21,22).
What are the key properties of N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 19696146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).